Spectral Study ofA¹Π–X¹Σ⁺Transitions of CO Relevant to Interstellar Clouds

Highly correlated ab initio calculations were performed for an accurate determination of the A1Π–X1Σ+ system of the CO molecule. A highly accurate multi-reference configuration interaction approach was used to investigate the potential energy curves (PECs) and the transition dipole moment curve (TDMC). The resultant PECs and TDMC found by using the aug-cc-pV5Z (aV5Z) basis set and 5330 active spaces are in good agreement with the experimental...